SCHEMBL6989187

SCHEMBL6989187

O=C(c1nc2ccccc2nc1O)N1CCCCCC1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.51
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
SCD5 Q86SK9 1/20 0.42
DAGLA Q9Y4D2 7/20 0.42
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
HPGD P15428 1/20 0.41
ABHD6 Q9BV23 6/20 0.41
CYP3A4 P08684 1/20 0.41
HSD11B1 P28845 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6989978 0.90 SCD5 (0.51) FABP4SCD5DAGLAHCRTR1HCRTR2
SCHEMBL6989168 0.88 DAGLA (0.48) FABP4TP53SCD5DAGLAHCRTR1
SCHEMBL3702050 0.88 FABP4 (0.56) FABP4TP53LMNASCD5HCRTR1
SCHEMBL3699134 0.88 FABP4 (0.56) FABP4TP53LMNASCD5HCRTR1
SCHEMBL3699136 0.88 FABP4 (0.56) FABP4TP53LMNASCD5HCRTR1
SCHEMBL6989539 0.87 SCD5 (0.55) FABP4SCD5DAGLAHCRTR1HCRTR2
SCHEMBL3700092 0.86 FABP4 (0.67) FABP4SCD5HCRTR1HCRTR2CYP3A4
SCHEMBL3700088 0.86 FABP4 (0.67) FABP4SCD5HCRTR1HCRTR2CYP3A4
SCHEMBL6986064 0.85 HCRTR1 (0.51) FABP4DAGLAHCRTR1HCRTR2ABHD6
SCHEMBL6989556 0.85 HCRTR1 (0.48) FABP4SCD5HCRTR1HCRTR2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 FABP4 1/4885TP53 3646/4885LMNA 2251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.